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CAS 882660-40-4 N-((1r,4r)-4-(4-(cyclopropylMethyl)piperazin-1-yl)cyclohexyl)acetaMide molecular structure lightbox
CAS RN: 882660-40-4

N-((1r,4r)-4-(4-(cyclopropylMethyl)piperazin-1-yl)cyclohexyl)acetaMide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS882660-40-4
  • Purity/Analytical Methods: >99.0%
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882660-40-4 / N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]acetamide

Standard CAS: 882660-40-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
882660-40-4
Multi CAS
No
Molecular Formula
C16H29N3O
Molecular Weight
279.420000
Exact Mass
279.231063
InChI
InChI=1S/C16H29N3O/c1-13(20)17-15-4-6-16(7-5-15)19-10-8-18(9-11-19)12-14-2-3-14/h14-16H,2-12H2,1H3,(H,17,20)
InChIKey
RKDOUGDECLHTQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.6
TPSA
35.58

LogP / Solubility

WLOGP
1.46
MLOGP
1.3
XLogP3
1.5
Consensus LogP
1.42
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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